SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution functions.
GLabViz - Interactive Analysis and Visualization Application for Scientific Data written in Python using Qt and pyqtrgaph
Plots absorption spectra from from ORCA output files
hyperSpec: Tools for Spectroscopy (R package)
A simple script to convert Agilent 845x Chemstation UV-Vis files (.KD or .SD formats) to .csv format. Fast and easy!
Code for: Decoding Complexity in Chemical Compositions from Optical Absorption Spectra by Machine Learning
An open source spectrometer using an Arduino and off-the-shelf parts.
Command line tool for parsing and processing UV-Vis data from the Agilent 845x Chemstation software.
This repository is very specific. It contains a nested dataset of 301 files. Six signals are processed: four uv-vis and a fluorescence signal.
The Band Gap Estimator is a command-line tool designed to quickly and easily estimate the band gap energy of materials from UV-Vis spectroscopy data using the Tauc plot method.
Easily transfer selected states from ORCA output files into tables (Go Edition)
It is possible to predict the spectrum of e.g. a nucleobase in a nucleoside-nucleobase conversion.
Try to observe with a microscope what is making an UV/Vis spectroscopy method fail
compare two-point UV/Vis spectroscopy read-out with spectral unmixing
This repository contains Python files used for the analysis of UV-Vis absorbance data for studying a photodegradation process in TiO2 catalyst. This project was originally created as an assignment for CHEM 133.01 LEC.
data generated on the Cary50 UV/Vis spectrophotometer
This repository contains files which document the quantitative analyses and visualization of four case problems in UV-Vis spectroscopy, spectrofluorometry, and FTIR. This was done as part of an activity for CHEM 133.01 LEC.
The uvvis-app allows to evaluate concentrations of analytes in mixtures using Multivariate Partial Least Squares (PLS) analysis.
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